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Surface Energy of Molybdenum

The surface energy of a material is defined as the energy required to create a surface (h k l) from the bulk material. Surface energies are usually given in units of J/m2.

Surface Energy of Molybdenum

Surface energies can be determined with VASP by performing two calculations, namely one for representing the particular surface (h k l) and one for the bulk system as a reference.

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